3,3-bis(bromanyl)azetidin-2-one; 4-oxidanylnaphthalene-2-sulfonic acid

Systemtic Name: 3,3-bis(bromanyl)azetidin-2-one; 4-oxidanylnaphthalene-2-sulfonic acid Openeye Name: 3,3-dibromoazetidin-2-one; 4-hydroxynaphthalene-2-sulfonic acid CAS Name: 3,3-dibromo-2-azetidinone; 4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 3,3-dibromoazetidin-2-one; 4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 3,3-dibromoazetidin-2-one; 4-hydroxynaphthalene-2-sulfonic acid Formula: C13H11Br2NO5S MolecularWeight: 453.10314

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1)(Br)Br.C1=CC=C2C(=C1)C=C(C=C2O)S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N1)(Br)Br.C1=CC=C2C(=C1)C=C(C=C2O)S(=O)(=O)O

InChI

InChI=1S/C10H8O4S.C3H3Br2NO/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10;4-3(5)1-6-2(3)7/h1-6,11H,(H,12,13,14);1H2,(H,6,7)